![CAS 864292-48-8 4,6-dichloro-1-ethyl-1H-pyrazolo[3,4-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864292-48-8.gif)
CAS RN: 864292-48-8
4,6-dichloro-1-ethyl-1H-pyrazolo[3,4-d]pyriMidine
- Product code: SSC-195473
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
864292-48-8 / 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine
Basic Information
CAS
864292-48-8
Multi CAS
No
Molecular Formula
C7H6CL2N4
Molecular Weight
217.050000
Exact Mass
215.996952
InChI
InChI=1S/C7H6Cl2N4/c1-2-13-6-4(3-10-13)5(8)11-7(9)12-6/h3H,2H2,1H3
InChIKey
MBSDYSAYKSKMQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.02
TPSA
43.6
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.4
Consensus LogP
2.15
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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